azane;2,3,5-trimethyl-4-nitropyridine

C8H13N3O2 — CID 175754992

IUPACazane;2,3,5-trimethyl-4-nitropyridine
SMILESCc1cnc(C)c(C)c1[N+](=O)[O-].N
InChIInChI=1S/C8H10N2O2.H3N/c1-5-4-9-7(3)6(2)8(5)10(11)12;/h4H,1-3H3;1H3
InChIKeyGXLYASYOSDJZOF-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.08
Rot. Bonds1

About azane;2,3,5-trimethyl-4-nitropyridine

azane;2,3,5-trimethyl-4-nitropyridine (PubChem CID 175754992) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is azane;2,3,5-trimethyl-4-nitropyridine.

Molecular Properties

Compound Nameazane;2,3,5-trimethyl-4-nitropyridine
PubChem CID175754992
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Nameazane;2,3,5-trimethyl-4-nitropyridine
SMILESCc1cnc(C)c(C)c1[N+](=O)[O-].N
InChIInChI=1S/C8H10N2O2.H3N/c1-5-4-9-7(3)6(2)8(5)10(11)12;/h4H,1-3H3;1H3
InChIKeyGXLYASYOSDJZOF-UHFFFAOYSA-N
XLogP2.08
TPSA91.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-3,5-dimethyl-4-nitropyridine;hydrate;hydrochloride
CID 141317816
5,6-dimethyl-4-nitropyridine-3-sulfonic acid;methane
CID 174398502
4-methoxy-2,5-dimethyl-3-nitropyridine
CID 131848990
2-azido-3,5-dimethyl-4-nitropyridine
CID 58758112
2-(3,5-dimethyl-4-nitro-2-pyridinyl)acetic acid
CID 103185934
2-methoxy-4,5-dimethyl-3-nitropyridine
CID 118881791
(4,6-dimethyl-5-nitro-3-pyridinyl)boronic acid
CID 140921399
2-(3-chlorobutyl)-3,5-dimethyl-4-nitropyridine
CID 103182406
1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]cyclobutane-1-carbonitrile
CID 103184788
(4,6-dimethyl-5-nitro-3-pyridinyl)methanol
CID 142530016
1-(3,5-dimethyl-4-nitro-2-pyridinyl)-4-methylpentan-3-ol
CID 103182326
3-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]pentan-2-ol
CID 103182311

Frequently Asked Questions

What is the IUPAC name of azane;2,3,5-trimethyl-4-nitropyridine?
The IUPAC name of azane;2,3,5-trimethyl-4-nitropyridine (CID 175754992) is azane;2,3,5-trimethyl-4-nitropyridine.
What is the SMILES notation for azane;2,3,5-trimethyl-4-nitropyridine?
The canonical SMILES for azane;2,3,5-trimethyl-4-nitropyridine is Cc1cnc(C)c(C)c1[N+](=O)[O-].N.
What is the InChIKey of azane;2,3,5-trimethyl-4-nitropyridine?
The InChIKey is GXLYASYOSDJZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.H3N/c1-5-4-9-7(3)6(2)8(5)10(11)12;/h4H,1-3H3;1H3.
What are the key properties of azane;2,3,5-trimethyl-4-nitropyridine?
azane;2,3,5-trimethyl-4-nitropyridine has a molecular weight of 183.21 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,3,5-trimethyl-4-nitropyridine is sourced from PubChem (CID 175754992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).